SCHEMBL7546017

SCHEMBL7546017

O=[N+]([O-])c1cc(F)c(N2CCNCC2)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.71
LMNA P02545 3/20 0.71
GAA P10253 1/20 0.71
ALDH1A1 P00352 12/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
PKM P14618 1/20 0.52
MAPK1 P28482 3/20 0.51
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP3A4 P08684 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26489288 0.89 MAPT (0.71) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL521692 0.87 MAPT (0.76) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7545283 0.85 MAPK1 (0.69) MAPTLMNAGAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL29257930 0.85 MAPT (0.55) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL7544057 0.83 MAPT (0.69) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL8069112 0.83 MAPT (0.71) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL9581594 0.82 MAPT (0.61) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL3537291 0.81 ALDH1A1 (0.74) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL521131 0.81 MAPT (0.67) MAPTLMNAGAAALDH1A1SMN1; SMN2
SCHEMBL25301580 0.80 MAPT (0.49) MAPTLMNAGAAALDH1A1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0970040-B1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 2002-06-12 EP claimed
EP-0970040-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES Clariant GmbH (DE) 2000-01-12 EP claimed
WO-1998040348-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 1998-09-17 WO claimed
EP-0970040-B1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 2002-06-12 EP disclosed
EP-0970040-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES Clariant GmbH (DE) 2000-01-12 EP disclosed
US-5990309-A 2-chloro-5-fluoro-4-morpholinonitrobenzene and 2-chloro-5-fluoro-4-morpholinoaniline CLARIANT GMBH (DE) 1999-11-23 US disclosed
US-5917037-A Process for the preparation of n-carboxyalkyl-3-fluoro-4-dialkylaminoanilines CLARIANT GMBH (DE) 1999-06-29 US disclosed
WO-1998040348-A1 METHOD FOR PRODUCING N-CARBOXYALKYL-3-FLUORO-4-DIALKYLAMINONILINES CLARIANT GMBH (DE) 1998-09-17 WO disclosed